(4-fluoroanilino)thiourea
Not inhibitor of Notum. Compound 59 Fragment 274
General
Type : Fragment inhibitor of Notum,Urea derivative,Sulfur Compound
Chemical_Nomenclature : (4-fluoroanilino)thiourea
Canonical SMILES : C1=CC(=CC=C1NNC(=S)N)F
InChI : InChI=1S\/C7H8FN3S\/c8-5-1-3-6(4-2-5)10-11-7(9)12\/h1-4,10H,(H3,9,11,12)
InChIKey : KQNHAXWTVPXGMP-UHFFFAOYSA-N
Other name(s) : 2-(4-Fluorophenyl)-1-hydrazinecarbothioamide,[(4-fluorophenyl)amino]thiourea,2-(4-Fluorophenyl)hydrazinecarbothioamide,SCHEMBL458638,ZINC69512,U5Z,Fragment-274,Fragment 274,Compound 59
MW : 185.22
Formula : C7H8FN3S
CAS_number : 280133-47-3
PubChem : 2782955
UniChem : KQNHAXWTVPXGMP-UHFFFAOYSA-N
IUPHAR :
Wikipedia :
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Target
Families : (4-fluoroanilino)thiourea ligand of proteins in family: Pectinacetylesterase-Notum
Stucture : 7BO1 Human Notum complexed with Fragment_274 [(4-fluorophenyl)amino]thiourea ((4-fluoroanilino)thiourea)
Protein : human-NOTUM
References (1)
| Title : Structural Analysis and Development of Notum Fragment Screening Hits - Zhao_2022_ACS.Chem.Neurosci_13_2060 |
| Author(s) : Zhao Y , Mahy W , Willis NJ , Woodward HL , Steadman D , Bayle ED , Atkinson BN , Sipthorp J , Vecchia L , Ruza RR , Harlos K , Jeganathan F , Constantinou S , Costa A , Kjaer S , Bictash M , Salinas PC , Whiting P , Vincent JP , Fish PV , Jones EY |
| Ref : ACS Chem Neurosci , 13 :2060 , 2022 |
| Abstract : Zhao_2022_ACS.Chem.Neurosci_13_2060 |
| ESTHER : Zhao_2022_ACS.Chem.Neurosci_13_2060 |
| PubMedSearch : Zhao_2022_ACS.Chem.Neurosci_13_2060 |
| PubMedID: 35731924 |
| Gene_locus related to this paper: human-NOTUM |